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Roncero, Octavio

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Firma en Digital.CSIC (*)
Roncero, Octavio
 
Otras firmas
Roncero, Octavio
 
Centro o Instituto
CSIC - Centro de Física Miguel A. Catalán - Instituto de Física Fundamental (CFMAC-IFF)
 
Especialización
My scientific interest focuss on quantum molecular dynamics, for the description of collisional as well as photoinitiated processes, involving reactivity and non adiabatic transitions. To this aim I have developed methods and codes for studying quantum dynamics (such as wave packets, time independent close coupling methods, bound states, etc), and for the obtaining of potential energy surfaces (adiabatic surface fitting, diabatization techniques to get coupled diabatic electronic states, embedding techniques,etc).
 
Email
oroncero@imaff.cfmac.csic.es
 
ORCID
 
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Otros - ResearchGate
 
Otros identificadores (con url)
 

Publications

Refined By:
Autor:  Delgado Barrio, Gerardo

Resultados 1-20 de 38.

DerechosPreviewFecha Public.TítuloAutor(es)Tipo
1closedAccessaccesoRestringido.pdf.jpg2002A combined classical/quantum study of the photodissociation dynamics of NeBr2(B) near the Br2(B) dissociation limitProsmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Roncero, Octavio CSIC ORCID artículo
2openAccess2012A quantum chemistry approach to energies, structures, and spectroscopy of doped helium clustersPérez de Tudela, Ricardo CSIC ORCID; López Durán, David; Lara Castells, María Pilar de CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Roncero, Octavio CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Gainturco, F.A.; Jellinek, J.; Villarreal, Pablo CSIC ORCIDartículo
3openAccessVillarreal.pdf.jpg1991A wave packet Golden Rule treatment of vibrational predissociationVillarreal, Pablo CSIC ORCID; Miret-Artés, Salvador CSIC ORCID; Roncero, Octavio CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Beswick J. Alberto; Halberstadt, Nadine; Coalson, R.D.artículo
4closedAccessaccesoRestringido.pdf.jpg1988Anharmonicity effects on the vibrational predissociation of the NeI2(B 3Πu +, ν) complex: A close-coupling infinite-order sudden treatmentRoncero, Octavio CSIC ORCID ; Campos-Martínez, José CSIC ORCID; Cortina, A.M. CSIC; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
5openAccessRoncero.pdf.jpg1986Application of a diabatic distorted wave approximation to the study of X⋯H2 (X = He, Ne, Ar) van der Waals moleculesRoncero, Octavio CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCIDartículo
6closedAccessaccesoRestringido.pdf.jpg2000Application of a time-dependent Hartree approach on several surfaces to the vibrational predissociation of Ne2I2Carmona-Novillo, Estela CSIC; Campos-Martínez, José CSIC ORCID; Hernández, Marta I. CSIC ORCID; Roncero, Octavio CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
7closedAccessaccesoRestringido.pdf.jpg1985Applications of an adiabatic rotational model to the Ar...O2 van der Waals moleculeSerrano, C.; Roncero, Octavio CSIC ORCID ; Mareca, P.; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
8openAccessRoncero.pdf.jpg1993Coherence effects between intramolecular vibrational relaxation and dissociation in triatomic van der Waals systemsRoncero, Octavio CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Halberstadt, Nadine; Janda, Kenneth C.artículo
9openAccessVillarreal.pdf.jpg1990Double continuum fragmentation in the vibrational predissociation X⋯BC(v)⋯Y→BC(v′<v)+X+Y of van der Waals complexes: A perturbative treatmentVillarreal, Pablo CSIC ORCID; Miret-Artés, Salvador CSIC ORCID; Roncero, Octavio CSIC ORCID ; Sema, S.; Campos-Martínez, José CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
10closedAccessaccesoRestringido.pdf.jpg1988Energy levels and dynamics of vibrational predissociation of NeCl2: Approximate quantum mechanical calculations.Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Campos-Martínez, José CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
11openAccessVillarreal.pdf.jpg1994Energy levels and structure of tetra-atomic van der Waals clustersVillarreal, Pablo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID artículo
12openAccessMárquez-Mijares.pdf.jpg2009Estudio teórico del espectro rovibracional del trímero de ArgonMárquez-Mijares, Maykel CSIC; Rubayo-Soneira, Jesús; Pérez de Tudela, Ricardo CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCIDartículo
13openAccessIJQC06_revised.pdf.jpg9-may-2007Exact and quantum chemistry-like calculations in helium doped clusters: The He2Br2(X) exampleRoncero, Octavio CSIC ORCID ; Pérez de Tudela, Ricardo CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCIDartículo
14openAccessBorn_Oppenheimer_JChemPhys_2008.pdf.jpg29-abr-2008Exact, Born–Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) systemRoncero, Octavio CSIC ORCID ; Lara Castells, María Pilar de CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Stoecklin, T.; Voronin, A.; Rayez, J. C.artículo
15openAccessSanz.pdf.jpg2011Infrared spectrum of H5 + and D5 +: The simplest shared-proton modelSanz-Sanz, Cristina CSIC ORCID; Roncero, Octavio CSIC ORCID ; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Barragán, Patricia CSIC ORCID; Aguado, Alfredo CSIC ORCIDartículo
16openAccessJCP-Aguado-etal-2010.pdf.jpg14-jul-2010A new accurate and full dimensional potential energy surface of H5+ based on a triatomics-in-molecules analytic functional formAguado, Alfredo CSIC ORCID; Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
17openAccessGadéa.pdf.jpg1997Nonradiative lifetimes for LiH in the a state using adiabatic and diabatic schemesGadéa, F.X.; Berriche, H.; Roncero, Octavio CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
18openAccessRonceroI.pdf.jpg23-jun-2010A path-integral Monte Carlo study of a small cluster: The Ar trimerPérez de Tudela, Ricardo CSIC ORCID; Márquez-Mijares, Maykel CSIC; González-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCIDartículo
19openAccessRoncero.pdf.jpg2001Photodissociation of NeBr2(B) below and above the dissociation limit of Br2(B)Roncero, Octavio CSIC ORCID ; Campos-Martínez, José CSIC ORCID; Hernández, Marta I. CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Rubayo-Soneira, Jesúsartículo
20openAccessRoncero.pdf.jpg15-mar-1990Photofragmentation of the Ne⋅⋅⋅ICl complex: A three‐dimensional quantum mechanical studyRoncero, Octavio CSIC ORCID ; Beswick J. Alberto; Halberstadt, Nadine; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo